mp-625359/NdHO2/harm

Equation of state

../../_images/fig_bm3016.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5876.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8591.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5876.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25672.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times10725.png

(a) Computation time